2-[3-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]indol-1-yl]propanoic acid

Systemtic Name: 2-[3-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]indol-1-yl]propanoic acid Openeye Name: 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]propanoic acid CAS Name: 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1-indolyl]propanoic acid IUPAC Name: 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]propanoic acid Traditional Name: 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]propionic acid Formula: C19H13F3N2O2S MolecularWeight: 390.37893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=C(C2=CC=CC=C21)CC3=NC4=C(C(=CC(=C4S3)F)F)F

Isomeric SMILES

CC(C(=O)O)N1C=C(C2=CC=CC=C21)CC3=NC4=C(C(=CC(=C4S3)F)F)F

InChI

InChI=1S/C19H13F3N2O2S/c1-9(19(25)26)24-8-10(11-4-2-3-5-14(11)24)6-15-23-17-16(22)12(20)7-13(21)18(17)27-15/h2-5,7-9H,6H2,1H3,(H,25,26)